SCHEMBL29362802

SCHEMBL29362802

Fc1cc(C(Br)Br)ccc1-c1noc(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.54
HDAC6 Q9UBN7 20/20 0.54
HDAC5 Q9UQL6 20/20 0.54
HDAC8 Q9BY41 12/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19464122 1.00 HDAC1 (0.54) HDAC1HDAC6HDAC5HDAC8
SCHEMBL23992485 0.84 HDAC1 (0.52) HDAC1HDAC6HDAC5HDAC8
SCHEMBL20528677 0.79 HDAC1 (0.44) HDAC1HDAC6HDAC5HDAC8
SCHEMBL28509756 0.78 HDAC6 (0.55) HDAC1HDAC6HDAC5HDAC8
SCHEMBL19042598 0.78 HDAC1 (0.58) HDAC1HDAC6HDAC5HDAC8
SCHEMBL19476116 0.78 HDAC1 (0.59) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29362560 0.78 HDAC1 (0.59) HDAC1HDAC6HDAC5HDAC8
SCHEMBL18795777 0.78 HDAC4 (0.54) HDAC1HDAC6HDAC8
SCHEMBL19463029 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC5HDAC8
SCHEMBL29360432 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC5HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071522-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-04-12 CN disclosed
CN-110461159-B Fungicidal compositions 先正达参股股份有限公司 2022-03-11 CN disclosed
CN-108137570-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2022-01-28 CN disclosed
CN-113979962-A Fungicidal compositions 先正达参股股份有限公司 2022-01-28 CN disclosed